Sugi Predict

Sugi Predict / Compounds / SCHEMBL3320759

SCHEMBL3320759

SCHEMBL3320759

C[C@@H]1[C@@H](N=C=O)C[C@H]2C[C@@H]1C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK4 Q9NR20 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ CYP19A1 P11511 7/20 0.31
▸ CYP17A1 P05093 3/20 0.31
▸ DPP4 P27487 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3320762 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL5142163 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL6500424 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL3886872 0.81 ALDH1A1 (0.33) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL28496084 0.81 ALDH1A1 (0.33) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL20888313 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20888312 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9186280 0.69 TDP1 (0.40) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6939096 0.66 TDP1 (0.38) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL19994041 0.65 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US disclosed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US disclosed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 — — EP disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 — — US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 — — US disclosed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 — — US disclosed
US-20060235019-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2006-10-19 — — US disclosed
EP-1551834-A4 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORP (US) 2006-08-23 — — EP disclosed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 — — EP disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 — — EP disclosed
US-7034033-B2 Substituted quinazolinone compounds CHIRON CORPORATION (US) 2006-04-25 — — US disclosed
US-20060030573-A1 Substituted quinazolinone compounds BOYCE RUSTUM S 2006-02-09 — — US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 — — US disclosed
EP-1551834-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-07-13 — — EP disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 — — WO disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 — — US disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 — — WO disclosed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 — — US disclosed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060235019-A1 Substituted quinazolinone compounds MC4R, MC2R, MC5R TDP1 4301/4885SCN1A 1289/4885SCN2A 1905/4885
US-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 3526/4885SCN1A 1194/4885SCN2A 1924/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 4103/4885SCN1A 1443/4885SCN2A 2055/4885
US-20060030573-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TDP1 4137/4885SCN1A 1674/4885SCN2A 2172/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R TDP1 3359/4885SCN1A 1350/4885SCN2A 1849/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R TDP1 3399/4885SCN1A 1839/4885SCN2A 2453/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.